Darunavir-d9

• CAT Number: R007207
• CAS Number: 1133378-37-6
• Molecular Formula: C27H37N3O7S
• Molecular Weight: 556.722
• Purity: ≥95%
• Synonyms: [(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl-d9)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-b]-furan-3-yl Ester; TMC-114-d9; UIC-94017-d9
• Target: Metabolic Enzyme/Protease
• Storage: -20°C
• IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• InChI: InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1/i1D3,2D3,15D2,18D
• InChIKey: CJBJHOAVZSMMDJ-SYUAEXFJSA-N
• SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N

Darunavir-d9 is a deuterated form of darunavir, an antiretroviral medication used in the treatment of HIV. By inhibiting the HIV-1 protease enzyme, it prevents the cleavage of viral polyproteins, resulting in the production of immature, non-infectious viral particles. The inclusion of deuterium atoms enhances the drug’s metabolic stability, providing more consistent pharmacokinetic profiles. Darunavir-d9 is valuable in pharmaceutical research for studying drug metabolism, pharmacokinetics, and developing more effective HIV treatments. Its application in organic and material chemistry includes isotopic labeling for analytical purposes.